SCHEMBL161659

SCHEMBL161659

COC(=O)C(C)(C)CCc1ncc(-c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.48
DGAT1 O75907 4/20 0.46
KDR P35968 1/20 0.46
SCD O00767 1/20 0.45
PTPN11 Q06124 1/20 0.44
MCHR1 Q99705 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
DEGS1 O15121 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL163250 0.91 DGAT1 (0.54) DGAT1TRPV1
SCHEMBL162514 0.91 DGAT1 (0.48) PTPN1DGAT1KDRSCDPTPN11
SCHEMBL157949 0.90 PTPN1 (0.50) PTPN1DGAT1KDRSCDMCHR1
SCHEMBL161302 0.86 NPC1 (0.53) DGAT1
SCHEMBL162321 0.85 NR1H4 (0.48)
SCHEMBL161164 0.83 DGAT1 (0.58) DGAT1TRPV1
SCHEMBL161996 0.83 NAMPT (0.52) KDR
SCHEMBL162708 0.83 PTPN1 (0.50) PTPN1DGAT1KDRSCDKCNQ3
SCHEMBL160613 0.82 PTPN1 (0.50) PTPN1DGAT1KDRSCDPTPN11
SCHEMBL161964 0.81 DGAT1 (0.56) DGAT1TRPV1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 PTPN1 2557/4885DGAT1 1/4885KDR 4203/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.